#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/84/1008477.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1008477 _chemical_name_systematic 'Distrontium vanadium(IV) oxide' _chemical_formula_structural 'Sr2 V O4' _chemical_formula_sum 'O4 Sr2 V' _publ_section_title ; Properties of a new perovskite oxide Sr~2~VO~4~ ; loop_ _publ_author_name 'Cyrot, M' 'Lambert Andron, B' 'Soubeyroux, J L' 'Rey, M J' 'Dehauht, P' 'Cyrot Lackmann, F' 'Fourcaudot, G' 'Beille, J' 'Tholence, J L' _journal_name_full 'Journal of Solid State Chemistry' _journal_coden_ASTM JSSCBI _journal_volume 85 _journal_year 1990 _journal_page_first 321 _journal_page_last 325 _cell_length_a 3.8340(4) _cell_length_b 3.8340(4) _cell_length_c 12.5874(13) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 185.0 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'I 4/m m m' _symmetry_Int_Tables_number 139 _symmetry_cell_setting tetragonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,z' '-x,y,z' 'x,-y,z' '-y,x,z' 'y,-x,z' 'y,x,z' '-y,-x,z' '-x,-y,-z' 'x,y,-z' 'x,-y,-z' '-x,y,-z' 'y,-x,-z' '-y,x,-z' '-y,-x,-z' 'y,x,-z' '1/2+x,1/2+y,1/2+z' '1/2-x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-y,1/2+x,1/2+z' '1/2+y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2+z' '1/2-y,1/2-x,1/2+z' '1/2-x,1/2-y,1/2-z' '1/2+x,1/2+y,1/2-z' '1/2+x,1/2-y,1/2-z' '1/2-x,1/2+y,1/2-z' '1/2+y,1/2-x,1/2-z' '1/2-y,1/2+x,1/2-z' '1/2-y,1/2-x,1/2-z' '1/2+y,1/2+x,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number Sr2+ 2.000 V4+ 4.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Sr1 Sr2+ 4 e 0. 0. 0.35438(25) 1. 0 d V1 V4+ 2 a 0. 0. 0. 1. 0 d O1 O2- 4 c 0. 0.5 0. 1. 0 d O2 O2- 4 e 0. 0. 0.15778(28) 1. 0 d _refine_ls_R_factor_all 0.08 _cod_database_code 1008477